- InChI
- InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
- InChI Key
- SUBDBMMJDZJVOS-UHFFFAOYSA-N
- Formula
- C17H19N3O3S
- SMILES
-
COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)
c3C)[nH]c2c1 - Molecular Weight1
- 345.42
- Other Names
-
- 5-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole
- 6-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazole
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -4.82 | Crippen Calculated Property | |
| logPoct/wat | 2.418 | Crippen Calculated Property | |
| McVol | 251.610 | ml/mol | McGowan Calculated Property |
| Tfus | 429.15 | K | Thermod... |
Similar Compounds
Find more compounds similar to Omeprazole.
Sources
- Crippen Method
- Crippen Method
- Thermodynamic models for determination of the solubility of omeprazole in pure and mixture organic solvents from T = (278.15 to 333.15) K
- McGowan Method
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